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Information card for entry 2023030
Preview
| Coordinates | 2023030.cif |
|---|---|
| Structure factors | 2023030.hkl |
| Original IUCr paper | HTML |
| Chemical name | 3-(Propan-2-yl)-1,2,4-[1,2,4]selenadiazolo[4,5-<i>a</i>]pyridin-4-ylium chloride |
|---|---|
| Formula | C9 H11 Cl N2 Se |
| Calculated formula | C9 H11 Cl N2 Se |
| Title of publication | Synthesis and crystal structure of the adduct between 2-pyridyl-selenyl chloride and isobutyro-nitrile. |
| Authors of publication | Temesgen, Ayalew W.; Sapronov, Alexander A.; Kubasov, Alexey S.; Novikov, Alexander S.; Le, Tuan Anh; Tskhovrebov, Alexander G. |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | Pt 3 |
| Pages of publication | 247 - 251 |
| a | 9.054 ± 0.011 Å |
| b | 15.015 ± 0.015 Å |
| c | 30.93 ± 0.03 Å |
| α | 90° |
| β | 94.1 ± 0.03° |
| γ | 90° |
| Cell volume | 4194 ± 8 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1261 |
| Residual factor for significantly intense reflections | 0.0797 |
| Weighted residual factors for significantly intense reflections | 0.1735 |
| Weighted residual factors for all reflections included in the refinement | 0.1917 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 291126 (current) | 2024-04-06 | cif/ Updating files of 2023030 Original log message: Adding full bibliography for 2023030.cif. |
2023030.cif 2023030.hkl |
| 289770 | 2024-02-09 | cif/ hkl/ Adding structures of 2023030 via cif-deposit CGI script. |
2023030.cif 2023030.hkl |
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